(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

C23H19F4N3O2 — CID 133371349

IUPAC(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C23H19F4N3O2/c24-18-20(19(25)22(27)28-21(18)26)29-10-12-30(13-11-29)23(31)16-6-8-17(9-7-16)32-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyWFFFJRYUIPVABI-UHFFFAOYSA-N
MW445.42 g/mol
LogP4.18
Rot. Bonds5

About (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 133371349) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID133371349
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C23H19F4N3O2/c24-18-20(19(25)22(27)28-21(18)26)29-10-12-30(13-11-29)23(31)16-6-8-17(9-7-16)32-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyWFFFJRYUIPVABI-UHFFFAOYSA-N
XLogP4.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371264
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
4-phenylmethoxybenzoyl fluoride
CID 154719359
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 112829933
4-phenyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 133371959
[4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9243250
3-amino-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119728405
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (CID 133371349) is (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is WFFFJRYUIPVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-18-20(19(25)22(27)28-21(18)26)29-10-12-30(13-11-29)23(31)16-6-8-17(9-7-16)32-14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 445.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 133371349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).